dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane

C31H34I4P2 — CID 102124150

IUPACdibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane
SMILESIP(I)(CCCP(I)(I)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H34I4P2/c32-36(33,24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)22-13-23-37(34,35,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKeyTZSCUMBBWRCAHC-UHFFFAOYSA-N
MW976.18 g/mol
LogP12.68
Rot. Bonds12

About dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane

dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane (PubChem CID 102124150) has the molecular formula C31H34I4P2 and a molecular weight of 976.18 g/mol. Its IUPAC name is dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane.

Molecular Properties

Compound Namedibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane
PubChem CID102124150
Molecular FormulaC31H34I4P2
Molecular Weight976.18 g/mol
Exact Mass975.83
IUPAC Namedibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane
SMILESIP(I)(CCCP(I)(I)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H34I4P2/c32-36(33,24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)22-13-23-37(34,35,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKeyTZSCUMBBWRCAHC-UHFFFAOYSA-N
XLogP12.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.18
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
4-phenylbutylbenzene
CID 141301927
benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane
CID 140526465
benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
CID 174822547
benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
CID 173254965
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane?
The IUPAC name of dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane (CID 102124150) is dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane.
What is the SMILES notation for dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane?
The canonical SMILES for dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane is IP(I)(CCCP(I)(I)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane?
The InChIKey is TZSCUMBBWRCAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34I4P2/c32-36(33,24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)22-13-23-37(34,35,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2.
What are the key properties of dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane?
dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane has a molecular weight of 976.18 g/mol, XLogP of 12.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[3-[dibenzyl(diiodo)-λ5-phosphanyl]propyl]-diiodo-λ5-phosphane is sourced from PubChem (CID 102124150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).